N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C21H29N5O — CID 56887566

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C21H29N5O/c27-21(11-10-20-18-8-1-2-9-19(18)24-25-20)23-17-7-5-13-26(15-17)14-16-6-3-4-12-22-16/h3-4,6,12,17H,1-2,5,7-11,13-15H2,(H,23,27)(H,24,25)
InChIKeySJROYTRZSKBHGF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 56887566) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID56887566
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C21H29N5O/c27-21(11-10-20-18-8-1-2-9-19(18)24-25-20)23-17-7-5-13-26(15-17)14-16-6-3-4-12-22-16/h3-4,6,12,17H,1-2,5,7-11,13-15H2,(H,23,27)(H,24,25)
InChIKeySJROYTRZSKBHGF-UHFFFAOYSA-N
XLogP2.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide with MolForge

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Related Compounds

(3R)-N,N-dimethyl-3-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]azepane-1-carboxamide
CID 96580100
1-(3-pyridin-2-ylazetidin-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 56901930
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
CID 95896405
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 45223884
N-(2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131942976
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 125164849
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 56887566) is N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NC1CCCN(Cc2ccccn2)C1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is SJROYTRZSKBHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-21(11-10-20-18-8-1-2-9-19(18)24-25-20)23-17-7-5-13-26(15-17)14-16-6-3-4-12-22-16/h3-4,6,12,17H,1-2,5,7-11,13-15H2,(H,23,27)(H,24,25).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 367.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 56887566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).